# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Aug  4 06:29:05 2022
#   Inital geometry file: a 124 line input string
#   Ligand name: 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1C(=O)CCc2cc(CNC(C)(C)[C@@H](O)c3ccccc3)ccc12
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 YTD  YTD  "6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one"
  ligand  51  25  .  2022-08-11  2022-08-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_YTD
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 YTD  C1   C  C     0   0.522  -3.1085  -19.1030  -31.2978
 YTD  C2   C  CH2   0  -0.582  -2.7877  -19.8770  -32.5511
 YTD  C3   C  CH2   0  -0.493  -2.4702  -21.3308  -32.2509
 YTD  C4   C  CR6   0   0.100  -1.3790  -21.3902  -31.2293
 YTD  C5   C  CR6   0   0.341  -1.3769  -20.4203  -30.2184
 YTD  C6   C  CR16  0  -0.309  -0.3788  -20.4516  -29.2510
 YTD  C7   C  CR16  0  -0.326   0.5953  -21.4428  -29.2836
 YTD  N    N  NT    0  -0.571  -2.3984  -19.4527  -30.1812
 YTD  C    C  CH3   0  -0.555  -2.6161  -18.7177  -28.9491
 YTD  O    O  OH1   0  -0.676   0.2155  -26.7310  -31.9886
 YTD  C10  C  CT    0   0.054   1.9151  -25.9732  -30.4377
 YTD  C11  C  CH3   0  -0.678   3.0088  -25.7872  -31.4836
 YTD  C12  C  CH1   0   0.036   0.9337  -27.1175  -30.8485
 YTD  C13  C  CR6   0   0.088   1.5985  -28.4472  -31.0934
 YTD  C14  C  CR16  0  -0.303   1.8081  -29.3252  -30.0330
 YTD  C15  C  CR16  0  -0.242   2.4435  -30.5438  -30.2285
 YTD  C16  C  CR16  0  -0.267   2.8655  -30.9119  -31.4987
 YTD  C17  C  CR16  0  -0.241   2.6427  -30.0533  -32.5673
 YTD  C18  C  CR16  0  -0.298   2.0132  -28.8321  -32.3670
 YTD  C19  C  CH3   0  -0.662   2.5464  -26.2623  -29.0772
 YTD  C20  C  CR16  0  -0.376  -0.3911  -22.3576  -31.2489
 YTD  C8   C  CR6   0   0.104   0.6088  -22.4074  -30.2789
 YTD  C9   C  CH2   0  -0.327   1.6641  -23.4793  -30.3216
 YTD  N1   N  NH1   0  -0.627   1.0407  -24.7908  -30.3975
 YTD  O1   O  O     0  -0.466  -3.9373  -18.2103  -31.2824
 YTD  H1   H  HCH2  0   0.276  -1.9254  -19.3998  -33.0297
 YTD  H2   H  HCH2  0   0.276  -3.6296  -19.7780  -33.2345
 YTD  H3   H  HCH2  0   0.259  -3.3661  -21.8346  -31.8723
 YTD  H4   H  HCH2  0   0.267  -2.1776  -21.8549  -33.1607
 YTD  H5   H  HCR6  0   0.273  -0.3391  -19.7137  -28.4617
 YTD  H6   H  HCR6  0   0.249   1.3569  -21.4519  -28.5129
 YTD  H7   H  HCH3  0   0.252  -2.6031  -19.4019  -28.1026
 YTD  H8   H  HCH3  0   0.247  -1.8519  -17.9543  -28.7923
 YTD  H9   H  HCH3  0   0.272  -3.5844  -18.2310  -28.9830
 YTD  H11  H  HCH3  0   0.241   3.7232  -25.0207  -31.1819
 YTD  H12  H  HCH3  0   0.248   3.5714  -26.7115  -31.6067
 YTD  H13  H  HCH3  0   0.231   2.6037  -25.5058  -32.4566
 YTD  H14  H  HCH1  0   0.208   0.2499  -27.2473  -29.9904
 YTD  H15  H  HCR6  0   0.250   1.4665  -29.0546  -29.0407
 YTD  H16  H  HCR6  0   0.251   2.5994  -31.2095  -29.3893
 YTD  H17  H  HCR6  0   0.251   3.3561  -31.8638  -31.6564
 YTD  H18  H  HCR6  0   0.250   2.9587  -30.3357  -33.5637
 YTD  H19  H  HCR6  0   0.248   1.8455  -28.1763  -33.2110
 YTD  H20  H  HCH3  0   0.239   3.1421  -25.4104  -28.7457
 YTD  H21  H  HCH3  0   0.226   1.7830  -26.4508  -28.3185
 YTD  H22  H  HCH3  0   0.235   3.2074  -27.1284  -29.1116
 YTD  H23  H  HCR6  0   0.246  -0.4070  -23.0981  -32.0410
 YTD  H24  H  HCH2  0   0.248   2.2838  -23.3361  -31.2092
 YTD  H25  H  HCH2  0   0.222   2.3305  -23.3616  -29.4563
 YTD  H26  H  HNH1  0   0.352   0.4072  -24.8906  -29.6098
 YTD  H10  H  HOH1  0   0.440   0.1074  -25.7702  -31.8751

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_neutron
 YTD  O    C12  single    1.402  0.020  1.402
 YTD  C2   C3   single    1.518  0.020  1.518
 YTD  C2   C1   single    1.508  0.020  1.508
 YTD  C3   C4   single    1.496  0.020  1.496
 YTD  C18  C17  aromatic  1.388  0.020  1.388
 YTD  C18  C13  aromatic  1.394  0.020  1.394
 YTD  C20  C4   aromatic  1.383  0.020  1.383
 YTD  C20  C8   aromatic  1.394  0.020  1.394
 YTD  C12  C13  single    1.507  0.020  1.507
 YTD  C12  C10  single    1.562  0.020  1.562
 YTD  C17  C16  aromatic  1.389  0.020  1.389
 YTD  C11  C10  single    1.525  0.020  1.525
 YTD  C13  C14  aromatic  1.393  0.020  1.393
 YTD  C4   C5   aromatic  1.401  0.020  1.401
 YTD  C9   C8   single    1.505  0.020  1.505
 YTD  C9   N1   single    1.454  0.020  1.454
 YTD  C8   C7   aromatic  1.386  0.020  1.386
 YTD  C1   O1   double    1.218  0.020  1.218
 YTD  C1   N    single    1.369  0.020  1.369
 YTD  C16  C15  aromatic  1.388  0.020  1.388
 YTD  C10  N1   single    1.471  0.020  1.471
 YTD  C10  C19  single    1.527  0.020  1.527
 YTD  C14  C15  aromatic  1.388  0.020  1.388
 YTD  C5   N    single    1.408  0.020  1.408
 YTD  C5   C6   aromatic  1.390  0.020  1.390
 YTD  N    C    single    1.451  0.020  1.451
 YTD  C7   C6   aromatic  1.390  0.020  1.390
 YTD  C2   H1   single    0.970  0.020  1.090
 YTD  C2   H2   single    0.970  0.020  1.090
 YTD  C3   H3   single    0.970  0.020  1.090
 YTD  C3   H4   single    0.970  0.020  1.090
 YTD  C6   H5   single    0.930  0.020  1.080
 YTD  C7   H6   single    0.930  0.020  1.080
 YTD  C    H7   single    0.970  0.020  1.090
 YTD  C    H8   single    0.970  0.020  1.090
 YTD  C    H9   single    0.970  0.020  1.090
 YTD  O    H10  single    0.850  0.020  0.980
 YTD  C11  H11  single    0.970  0.020  1.090
 YTD  C11  H12  single    0.970  0.020  1.090
 YTD  C11  H13  single    0.970  0.020  1.090
 YTD  C12  H14  single    0.970  0.020  1.090
 YTD  C14  H15  single    0.930  0.020  1.080
 YTD  C15  H16  single    0.930  0.020  1.080
 YTD  C16  H17  single    0.930  0.020  1.080
 YTD  C17  H18  single    0.930  0.020  1.080
 YTD  C18  H19  single    0.930  0.020  1.080
 YTD  C19  H20  single    0.970  0.020  1.090
 YTD  C19  H21  single    0.970  0.020  1.090
 YTD  C19  H22  single    0.970  0.020  1.090
 YTD  C20  H23  single    0.930  0.020  1.080
 YTD  C9   H24  single    0.970  0.020  1.090
 YTD  C9   H25  single    0.970  0.020  1.090
 YTD  N1   H26  single    0.890  0.020  1.040

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 YTD  O1   C1   N    122.00  3.000
 YTD  N    C1   C2   115.88  3.000
 YTD  O1   C1   C2   122.11  3.000
 YTD  H2   C2   H1   107.15  3.000
 YTD  H2   C2   C3   111.89  3.000
 YTD  H1   C2   C3   109.81  3.000
 YTD  H2   C2   C1   108.09  3.000
 YTD  H1   C2   C1   107.88  3.000
 YTD  C3   C2   C1   111.83  3.000
 YTD  H4   C3   H3   106.68  3.000
 YTD  H4   C3   C4   110.80  3.000
 YTD  H3   C3   C4   110.02  3.000
 YTD  H4   C3   C2   110.58  3.000
 YTD  H3   C3   C2   109.74  3.000
 YTD  C4   C3   C2   109.00  3.000
 YTD  C20  C4   C5   119.57  3.000
 YTD  C5   C4   C3   117.80  3.000
 YTD  C20  C4   C3   122.63  3.000
 YTD  N    C5   C6   121.20  3.000
 YTD  C6   C5   C4   119.18  3.000
 YTD  N    C5   C4   119.60  3.000
 YTD  H5   C6   C7   118.56  3.000
 YTD  H5   C6   C5   121.26  3.000
 YTD  C7   C6   C5   120.18  3.000
 YTD  H6   C7   C8   119.87  3.000
 YTD  H6   C7   C6   118.80  3.000
 YTD  C8   C7   C6   121.32  3.000
 YTD  C    N    C5   118.66  3.000
 YTD  C    N    C1   119.04  3.000
 YTD  C5   N    C1   122.05  3.000
 YTD  H9   C    H8   108.41  3.000
 YTD  H9   C    H7   108.49  3.000
 YTD  H8   C    H7   108.64  3.000
 YTD  H9   C    N    109.56  3.000
 YTD  H8   C    N    111.79  3.000
 YTD  H7   C    N    109.88  3.000
 YTD  H10  O    C12  103.54  3.000
 YTD  N1   C10  C19  111.93  3.000
 YTD  C19  C10  C12  110.81  3.000
 YTD  N1   C10  C12  102.85  3.000
 YTD  C19  C10  C11  109.74  3.000
 YTD  N1   C10  C11  110.31  3.000
 YTD  C12  C10  C11  111.07  3.000
 YTD  H13  C11  H12  108.06  3.000
 YTD  H13  C11  H11  107.99  3.000
 YTD  H12  C11  H11  106.82  3.000
 YTD  H13  C11  C10  112.14  3.000
 YTD  H12  C11  C10  110.15  3.000
 YTD  H11  C11  C10  111.46  3.000
 YTD  H14  C12  C13  107.20  3.000
 YTD  H14  C12  C10  105.70  3.000
 YTD  C13  C12  C10  114.32  3.000
 YTD  H14  C12  O    110.30  3.000
 YTD  C10  C12  O    109.50  3.000
 YTD  C13  C12  O    109.71  3.000
 YTD  C18  C13  C14  118.48  3.000
 YTD  C14  C13  C12  119.94  3.000
 YTD  C18  C13  C12  121.58  3.000
 YTD  H15  C14  C15  119.51  3.000
 YTD  H15  C14  C13  119.49  3.000
 YTD  C15  C14  C13  121.00  3.000
 YTD  H16  C15  C16  120.17  3.000
 YTD  H16  C15  C14  119.77  3.000
 YTD  C16  C15  C14  120.06  3.000
 YTD  H17  C16  C17  120.29  3.000
 YTD  H17  C16  C15  120.28  3.000
 YTD  C17  C16  C15  119.43  3.000
 YTD  H18  C17  C18  119.63  3.000
 YTD  H18  C17  C16  120.00  3.000
 YTD  C18  C17  C16  120.37  3.000
 YTD  H19  C18  C17  119.40  3.000
 YTD  H19  C18  C13  119.96  3.000
 YTD  C17  C18  C13  120.64  3.000
 YTD  H22  C19  H21  107.97  3.000
 YTD  H22  C19  H20  107.39  3.000
 YTD  H21  C19  H20  107.77  3.000
 YTD  H22  C19  C10  111.89  3.000
 YTD  H21  C19  C10  111.25  3.000
 YTD  H20  C19  C10  110.40  3.000
 YTD  H23  C20  C8   119.63  3.000
 YTD  H23  C20  C4   118.52  3.000
 YTD  C8   C20  C4   121.84  3.000
 YTD  C9   C8   C20  120.58  3.000
 YTD  C9   C8   C7   121.53  3.000
 YTD  C20  C8   C7   117.89  3.000
 YTD  H25  C9   H24  106.38  3.000
 YTD  H25  C9   N1   113.44  3.000
 YTD  H24  C9   N1   108.62  3.000
 YTD  H25  C9   C8   109.07  3.000
 YTD  H24  C9   C8   109.13  3.000
 YTD  N1   C9   C8   110.08  3.000
 YTD  H26  N1   C9   108.39  3.000
 YTD  H26  N1   C10  108.24  3.000
 YTD  C9   N1   C10  118.13  3.000

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 YTD  CONST_01  C7   C8   C20  C4      0.00   0.0  0
 YTD  CONST_02  C7   C6   C5   C4      0.00   0.0  0
 YTD  CONST_03  C8   C20  C4   C5      0.00   0.0  0
 YTD  CONST_04  C8   C7   C6   C5      0.00   0.0  0
 YTD  CONST_05  C20  C4   C5   C6      0.00   0.0  0
 YTD  CONST_06  C20  C8   C7   C6      0.00   0.0  0
 YTD  CONST_07  C16  C17  C18  C13     0.00   0.0  0
 YTD  CONST_08  C16  C15  C14  C13     0.00   0.0  0
 YTD  CONST_09  C17  C18  C13  C14     0.00   0.0  0
 YTD  CONST_10  C17  C16  C15  C14     0.00   0.0  0
 YTD  CONST_11  C18  C17  C16  C15     0.00   0.0  0
 YTD  CONST_12  C18  C13  C14  C15     0.00   0.0  0
 YTD  CONST_13  C5   N    C1   C2      0.00   0.0  0
 YTD  CONST_14  C9   C8   C20  C4    180.00   0.0  0
 YTD  CONST_15  C9   C8   C7   C6    180.00   0.0  0
 YTD  CONST_16  C17  C18  C13  C12   180.00   0.0  0
 YTD  CONST_17  C15  C14  C13  C12   180.00   0.0  0
 YTD  CONST_18  C    N    C1   C2    180.00   0.0  0
 YTD  CONST_19  O1   C1   N    C5    180.00   0.0  0
 YTD  CONST_20  H23  C20  C4   C3      0.00   0.0  0
 YTD  CONST_21  H5   C6   C5   C4    180.00   0.0  0
 YTD  CONST_22  H23  C20  C4   C5    180.00   0.0  0
 YTD  CONST_23  H6   C7   C6   C5    180.00   0.0  0
 YTD  CONST_24  H23  C20  C8   C7    180.00   0.0  0
 YTD  CONST_25  H5   C6   C5   N       0.00   0.0  0
 YTD  CONST_26  H18  C17  C18  C13   180.00   0.0  0
 YTD  CONST_27  H16  C15  C14  C13   180.00   0.0  0
 YTD  CONST_28  H19  C18  C13  C14   180.00   0.0  0
 YTD  CONST_29  H17  C16  C15  C14   180.00   0.0  0
 YTD  CONST_30  H18  C17  C16  C15   180.00   0.0  0
 YTD  CONST_31  H19  C18  C17  C16   180.00   0.0  0
 YTD  CONST_32  H15  C14  C15  C16   180.00   0.0  0
 YTD  CONST_33  H16  C15  C16  C17   180.00   0.0  0
 YTD  CONST_34  H17  C16  C17  C18   180.00   0.0  0
 YTD  CONST_35  H15  C14  C13  C18   180.00   0.0  0
 YTD  CONST_36  H6   C7   C8   C20   180.00   0.0  0
 YTD  CONST_37  H5   C6   C7   C8    180.00   0.0  0
 YTD  CONST_38  O1   C1   N    C       0.00   0.0  0
 YTD  Var_01    C4   C3   C2   C1    -54.23  30.0  1
 YTD  Var_02    C4   C5   N    C1    -23.73  30.0  1
 YTD  Var_03    C6   C5   N    C1    157.74  30.0  1
 YTD  Var_04    C20  C4   C3   C2   -143.62  30.0  1
 YTD  Var_05    C5   C4   C3   C2     36.56  30.0  1
 YTD  Var_06    N    C1   C2   C3     35.86  30.0  1
 YTD  Var_07    O1   C1   C2   C3   -144.98  30.0  1
 YTD  Var_08    C    N    C5   C4    162.15  30.0  1
 YTD  Var_09    C    N    C5   C6    -16.38  30.0  1
 YTD  Var_10    H3   C3   C2   C1     66.32  30.0  1
 YTD  Var_11    H4   C3   C2   C1   -176.26  30.0  1
 YTD  Var_12    H1   C2   C3   C4     65.50  30.0  1
 YTD  Var_13    H2   C2   C3   C4   -175.65  30.0  1
 YTD  Var_14    H3   C3   C4   C5    -83.82  30.0  1
 YTD  Var_15    H4   C3   C4   C5    158.46  30.0  1
 YTD  Var_16    H1   C2   C1   N     -84.99  30.0  1
 YTD  Var_17    H2   C2   C1   N     159.46  30.0  1
 YTD  Var_18    H3   C3   C4   C20    96.01  30.0  1
 YTD  Var_19    H4   C3   C4   C20   -21.71  30.0  1
 YTD  Var_20    N1   C9   C8   C7    126.97  30.0  3
 YTD  Var_21    N1   C9   C8   C20   -53.03  30.0  3
 YTD  Var_22    H7   C    N    C1    140.69  30.0  3
 YTD  Var_23    H8   C    N    C1    -98.62  30.0  3
 YTD  Var_24    H9   C    N    C1     21.58  30.0  3
 YTD  Var_25    H7   C    N    C5    -45.02  30.0  3
 YTD  Var_26    H8   C    N    C5     75.68  30.0  3
 YTD  Var_27    H9   C    N    C5   -164.12  30.0  3
 YTD  Var_28    H24  C9   C8   C7   -113.92  30.0  3
 YTD  Var_29    H25  C9   C8   C7      1.90  30.0  3
 YTD  Var_30    H24  C9   C8   C20    66.08  30.0  3
 YTD  Var_31    H25  C9   C8   C20  -178.10  30.0  3
 YTD  Var_32    H1   C2   C1   O1     94.17  30.0  1
 YTD  Var_33    H2   C2   C1   O1    -21.38  30.0  1
 YTD  Var_34    C8   C9   N1   C10  -179.54  30.0  1
 YTD  Var_35    H26  N1   C9   C8    -56.05  30.0  3
 YTD  Var_36    C9   N1   C10  C11   -48.74  30.0  3
 YTD  Var_37    C9   N1   C10  C12  -167.27  30.0  3
 YTD  Var_38    C9   N1   C10  C19    73.74  30.0  3
 YTD  Var_39    H24  C9   N1   C10    61.04  30.0  1
 YTD  Var_40    H25  C9   N1   C10   -57.02  30.0  1
 YTD  Var_41    H26  N1   C10  C11  -172.31  30.0  3
 YTD  Var_42    H20  C19  C10  C11    63.32  30.0  3
 YTD  Var_43    H21  C19  C10  C11  -177.08  30.0  3
 YTD  Var_44    H22  C19  C10  C11   -56.22  30.0  3
 YTD  Var_45    H11  C11  C10  C12  -177.43  30.0  3
 YTD  Var_46    H12  C11  C10  C12   -59.04  30.0  3
 YTD  Var_47    H13  C11  C10  C12    61.35  30.0  3
 YTD  Var_48    H26  N1   C10  C12    69.16  30.0  3
 YTD  Var_49    H20  C19  C10  C12  -173.66  30.0  3
 YTD  Var_50    H21  C19  C10  C12   -54.06  30.0  3
 YTD  Var_51    H22  C19  C10  C12    66.80  30.0  3
 YTD  Var_52    H11  C11  C10  C19   -54.57  30.0  3
 YTD  Var_53    H12  C11  C10  C19    63.82  30.0  3
 YTD  Var_54    H13  C11  C10  C19  -175.78  30.0  3
 YTD  Var_55    H26  N1   C10  C19   -49.82  30.0  3
 YTD  Var_56    H11  C11  C10  N1     69.19  30.0  3
 YTD  Var_57    H12  C11  C10  N1   -172.42  30.0  3
 YTD  Var_58    H13  C11  C10  N1    -52.02  30.0  3
 YTD  Var_59    H20  C19  C10  N1    -59.49  30.0  3
 YTD  Var_60    H21  C19  C10  N1     60.11  30.0  3
 YTD  Var_61    H22  C19  C10  N1   -179.03  30.0  3

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 YTD  chir_01  C12  O  C13  C10  negativ

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 YTD  plan-1  C12  0.020
 YTD  plan-1  C13  0.020
 YTD  plan-1  C14  0.020
 YTD  plan-1  C15  0.020
 YTD  plan-1  C16  0.020
 YTD  plan-1  C17  0.020
 YTD  plan-1  C18  0.020
 YTD  plan-1  H15  0.020
 YTD  plan-1  H16  0.020
 YTD  plan-1  H17  0.020
 YTD  plan-1  H18  0.020
 YTD  plan-1  H19  0.020
 YTD  plan-2  C3   0.020
 YTD  plan-2  C4   0.020
 YTD  plan-2  C5   0.020
 YTD  plan-2  C6   0.020
 YTD  plan-2  C7   0.020
 YTD  plan-2  N    0.020
 YTD  plan-2  C20  0.020
 YTD  plan-2  C8   0.020
 YTD  plan-2  C9   0.020
 YTD  plan-2  H5   0.020
 YTD  plan-2  H6   0.020
 YTD  plan-2  H23  0.020
 YTD  plan-3  C1   0.020
 YTD  plan-3  C2   0.020
 YTD  plan-3  C5   0.020
 YTD  plan-3  N    0.020
 YTD  plan-3  C    0.020
 YTD  plan-3  O1   0.020

